[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B8C_oP88_19_4a_16a_2a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 3.1167 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.1167e-10 } "binding-potential-energy-per-atom" { "source-value" -35.80006472612868 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.735802719989098e-18 } "binding-potential-energy-per-formula" { "source-value" -393.8007119874155 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.309382991988008e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" ] } "parameter-values" { "source-value" [ 0.77062277 3.1908429 0.26053377 0.14701781 0.66881789 0.27047986 0.35338897 0.27464018 0.0248619 0.85486675 0.36355697 0.0015474762 0.64724306 0.62913415 0.42330624 0.57540342 0.52543337 0.11512244 0.48405239 0.5292294 0.08991429 0.046401093 0.47112572 0.096752642 0.73625657 0.52823825 0.0030095969 0.30742515 0.5537279 0.19564448 0.30736558 0.56599003 0.062770294 0.067328441 0.55700099 0.12224148 0.24584471 0.50995957 0.24362178 0.61581902 0.49773981 0.43519798 0.61286398 0.46695867 0.2692662 0.74382741 0.44624249 0.45527818 0.37024224 0.49101377 0.26833719 0.56185708 0.55968015 0.42900283 0.35500003 0.55591519 0.28611261 0.38592576 0.51685076 0.098298433 0.79390126 0.47094006 0.35528156 0.97899436 0.52193877 0.72893215 0.1478871 0.57872088 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B8C_oP88_19_4a_16a_2a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 3.1167 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.1167e-10 } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" ] } "parameter-values" { "source-value" [ 0.77062277 3.1908429 0.26053377 0.14701781 0.66881789 0.27047986 0.35338897 0.27464018 0.0248619 0.85486675 0.36355697 0.0015474762 0.64724306 0.62913415 0.42330624 0.57540342 0.52543337 0.11512244 0.48405239 0.5292294 0.08991429 0.046401093 0.47112572 0.096752642 0.73625657 0.52823825 0.0030095969 0.30742515 0.5537279 0.19564448 0.30736558 0.56599003 0.062770294 0.067328441 0.55700099 0.12224148 0.24584471 0.50995957 0.24362178 0.61581902 0.49773981 0.43519798 0.61286398 0.46695867 0.2692662 0.74382741 0.44624249 0.45527818 0.37024224 0.49101377 0.26833719 0.56185708 0.55968015 0.42900283 0.35500003 0.55591519 0.28611261 0.38592576 0.51685076 0.098298433 0.79390126 0.47094006 0.35528156 0.97899436 0.52193877 0.72893215 0.1478871 0.57872088 ] } } ]